SCHEMBL12440396

SCHEMBL12440396

C[C@H](Oc1ccc(COc2ccc3c(c2)OCC(CN2CCC[C@@H](C(=O)O)C2)=C3)cc1N)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
S1PR5 Q9H228 6/20 0.40
S1PR1 P21453 5/20 0.40
S1PR4 O95977 2/20 0.40
S1PR3 Q99500 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CD274 Q9NZQ7 3/20 0.38
PDGFRA P16234 1/20 0.36
LTA4H P09960 3/20 0.36
PRKD3 O94806 1/20 0.35
CDK7 P50613 1/20 0.35
JAK3 P52333 1/20 0.35
TNK2 Q07912 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
ALOX5 P09917 1/20 0.35
SLC6A1 P30531 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2322270 0.92 S1PR1 (0.44) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10089021 0.92 MAPK1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10089018 0.92 MAPK1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL13350091 0.92 S1PR5 (0.39) S1PR5S1PR1S1PR4S1PR3CD274
Hydrochloric Acid SCHEMBL2385356 0.91 S1PR1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10089060 0.90 S1PR1 (0.43) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10088825 0.86 S1PR1 (0.49) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL10310529 0.86 S1PR1 (0.49) MAPK1S1PR5S1PR1S1PR4S1PR3
SCHEMBL13349967 0.85 CCR5 (0.40)
SCHEMBL13350092 0.85 MAPK1 (0.47) MAPK1S1PR5S1PR1S1PR4S1PR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed